3-[cyclopropyl(piperidin-4-ylmethyl)amino]azepan-2-one

C15H27N3O — CID 79714119

IUPAC3-[cyclopropyl(piperidin-4-ylmethyl)amino]azepan-2-one
SMILESO=C1NCCCCC1N(CC1CCNCC1)C1CC1
InChIInChI=1S/C15H27N3O/c19-15-14(3-1-2-8-17-15)18(13-4-5-13)11-12-6-9-16-10-7-12/h12-14,16H,1-11H2,(H,17,19)
InChIKeyPPHDYAVXBAEUSV-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.12
Rot. Bonds4

About 3-[cyclopropyl(piperidin-4-ylmethyl)amino]azepan-2-one

3-[cyclopropyl(piperidin-4-ylmethyl)amino]azepan-2-one (PubChem CID 79714119) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[cyclopropyl(piperidin-4-ylmethyl)amino]azepan-2-one.

Molecular Properties

Compound Name3-[cyclopropyl(piperidin-4-ylmethyl)amino]azepan-2-one
PubChem CID79714119
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-[cyclopropyl(piperidin-4-ylmethyl)amino]azepan-2-one
SMILESO=C1NCCCCC1N(CC1CCNCC1)C1CC1
InChIInChI=1S/C15H27N3O/c19-15-14(3-1-2-8-17-15)18(13-4-5-13)11-12-6-9-16-10-7-12/h12-14,16H,1-11H2,(H,17,19)
InChIKeyPPHDYAVXBAEUSV-UHFFFAOYSA-N
XLogP1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(piperidin-4-ylmethyl)amino]azepan-2-one?
The IUPAC name of 3-[cyclopropyl(piperidin-4-ylmethyl)amino]azepan-2-one (CID 79714119) is 3-[cyclopropyl(piperidin-4-ylmethyl)amino]azepan-2-one.
What is the SMILES notation for 3-[cyclopropyl(piperidin-4-ylmethyl)amino]azepan-2-one?
The canonical SMILES for 3-[cyclopropyl(piperidin-4-ylmethyl)amino]azepan-2-one is O=C1NCCCCC1N(CC1CCNCC1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(piperidin-4-ylmethyl)amino]azepan-2-one?
The InChIKey is PPHDYAVXBAEUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c19-15-14(3-1-2-8-17-15)18(13-4-5-13)11-12-6-9-16-10-7-12/h12-14,16H,1-11H2,(H,17,19).
What are the key properties of 3-[cyclopropyl(piperidin-4-ylmethyl)amino]azepan-2-one?
3-[cyclopropyl(piperidin-4-ylmethyl)amino]azepan-2-one has a molecular weight of 265.40 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(piperidin-4-ylmethyl)amino]azepan-2-one is sourced from PubChem (CID 79714119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).